BDBM50096801 CHEMBL2370651::macrocyclic lipopeptidolactone derivative

SMILES: [H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@]([H])(NC(=O)C[C@@H](CCCCCCCCCCCCC)OC(=O)[C@H](CCCNC(C)=O)NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@@H](C)O)[C@@H](C)O)[C@H](O)CC(N)=O)[C@@H](C)O)[C@H](C)O)C(C)C

InChI Key: InChIKey=ZIQDAZYBWYCHNY-XADXCOPZSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50096801   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glucan Synthase (Candida albicans (Yeast))	BDBM50096801 (CHEMBL2370651 | macrocyclic lipopeptidolactone der...) Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@]([H])(NC(=O)C[C@@H](CCCCCCCCCCCCC)OC(=O)[C@H](CCCNC(C)=O)NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@@H](C)O)[C@@H](C)O)[C@H](O)CC(N)=O)[C@@H](C)O)[C@H](C)O)C(C)C Show InChI InChI=1S/C73H118N14O24/c1-10-11-12-13-14-15-16-17-18-19-20-22-47-33-54(98)80-57(39(5)88)67(104)77-38(4)63(100)79-49(31-44-24-26-45(93)27-25-44)64(101)82-56(37(2)3)71(108)87-36-46(94)32-50(87)65(102)83-59(41(7)90)69(106)84-60(42(8)91)72(109)86-30-28-51(95)62(86)70(107)85-61(52(96)34-53(74)97)66(103)76-35-55(99)81-58(40(6)89)68(105)78-48(73(110)111-47)23-21-29-75-43(9)92/h24-27,37-42,46-52,56-62,88-91,93-96H,10-23,28-36H2,1-9H3,(H2,74,97)(H,75,92)(H,76,103)(H,77,104)(H,78,105)(H,79,100)(H,80,98)(H,81,99)(H,82,101)(H,83,102)(H,84,106)(H,85,107)/t38-,39+,40-,41-,42-,46-,47-,48+,49+,50+,51+,52-,56+,57+,58+,59+,60+,61+,62+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans				Bioorg Med Chem Lett 11: 395-8 (2001) BindingDB Entry DOI: 10.7270/Q28051W2
					More data for this Ligand-Target Pair